N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H29N5O — CID 70760400

IUPACN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(CCNC(=O)CCc2c(C)nn(C)c2C)nc2c1CCCC2
InChIInChI=1S/C20H29N5O/c1-13-17-7-5-6-8-18(17)23-19(22-13)11-12-21-20(26)10-9-16-14(2)24-25(4)15(16)3/h5-12H2,1-4H3,(H,21,26)
InChIKeyIPMZHGJKXSJEIJ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 70760400) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID70760400
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(CCNC(=O)CCc2c(C)nn(C)c2C)nc2c1CCCC2
InChIInChI=1S/C20H29N5O/c1-13-17-7-5-6-8-18(17)23-19(22-13)11-12-21-20(26)10-9-16-14(2)24-25(4)15(16)3/h5-12H2,1-4H3,(H,21,26)
InChIKeyIPMZHGJKXSJEIJ-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131948396
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70788434
4,4,4-trifluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]butanamide
CID 90650914
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119620409
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70769017
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91772314
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 70760400) is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nc(CCNC(=O)CCc2c(C)nn(C)c2C)nc2c1CCCC2.
What is the InChIKey of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is IPMZHGJKXSJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13-17-7-5-6-8-18(17)23-19(22-13)11-12-21-20(26)10-9-16-14(2)24-25(4)15(16)3/h5-12H2,1-4H3,(H,21,26).
What are the key properties of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 355.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 70760400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).