N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide

C14H27N5O — CID 60959519

IUPACN,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)c1cn[nH]c1
InChIInChI=1S/C14H27N5O/c1-17(2)7-5-9-19(10-6-8-18(3)4)14(20)13-11-15-16-12-13/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyLKWGYTGEKQTTDV-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.76
Rot. Bonds9

About N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide

N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide (PubChem CID 60959519) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
PubChem CID60959519
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)c1cn[nH]c1
InChIInChI=1S/C14H27N5O/c1-17(2)7-5-9-19(10-6-8-18(3)4)14(20)13-11-15-16-12-13/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyLKWGYTGEKQTTDV-UHFFFAOYSA-N
XLogP0.76
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
N-(5-chloropentyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 107205772
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide (CID 60959519) is N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide is CN(C)CCCN(CCCN(C)C)C(=O)c1cn[nH]c1.
What is the InChIKey of N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LKWGYTGEKQTTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-17(2)7-5-9-19(10-6-8-18(3)4)14(20)13-11-15-16-12-13/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide?
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60959519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).