N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H35N5O2 — CID 4562038

IUPACN-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1COC
InChIInChI=1S/C25H35N5O2/c1-6-29(7-2)15-11-12-18(3)27-25(31)21-16-26-24-23(20-13-9-8-10-14-20)19(4)28-30(24)22(21)17-32-5/h8-10,13-14,16,18H,6-7,11-12,15,17H2,1-5H3,(H,27,31)
InChIKeyUQSVBVLAFQZCCY-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.09
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4562038) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4562038
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1COC
InChIInChI=1S/C25H35N5O2/c1-6-29(7-2)15-11-12-18(3)27-25(31)21-16-26-24-23(20-13-9-8-10-14-20)19(4)28-30(24)22(21)17-32-5/h8-10,13-14,16,18H,6-7,11-12,15,17H2,1-5H3,(H,27,31)
InChIKeyUQSVBVLAFQZCCY-UHFFFAOYSA-N
XLogP4.09
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7238720
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3447380
2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7493376
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125
N-cyclopropyl-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811868
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
6-amino-N-[5-(diethylamino)pentan-2-yl]pyridine-3-carboxamide
CID 62153221
5-amino-N-[5-(diethylamino)pentan-2-yl]-1-methylpyrazole-4-carboxamide
CID 115330341
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4562038) is N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1COC.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UQSVBVLAFQZCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-6-29(7-2)15-11-12-18(3)27-25(31)21-16-26-24-23(20-13-9-8-10-14-20)19(4)28-30(24)22(21)17-32-5/h8-10,13-14,16,18H,6-7,11-12,15,17H2,1-5H3,(H,27,31).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4562038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).