4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide

C15H27N5O — CID 62077444

IUPAC4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1n[nH]c(C2CC2)c1N)C(C)C
InChIInChI=1S/C15H27N5O/c1-9(2)20(10(3)4)8-7-17-15(21)14-12(16)13(18-19-14)11-5-6-11/h9-11H,5-8,16H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyZSKPZWBSMPKDQN-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.72
Rot. Bonds7

About 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 62077444) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID62077444
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1n[nH]c(C2CC2)c1N)C(C)C
InChIInChI=1S/C15H27N5O/c1-9(2)20(10(3)4)8-7-17-15(21)14-12(16)13(18-19-14)11-5-6-11/h9-11H,5-8,16H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyZSKPZWBSMPKDQN-UHFFFAOYSA-N
XLogP1.72
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
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CID 106333015
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987
4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
CID 106208189
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63826168
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945
4-amino-5-cyclopropyl-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 62077789
4-amino-5-cyclopropyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 62075802

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide (CID 62077444) is 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide is CC(C)N(CCNC(=O)c1n[nH]c(C2CC2)c1N)C(C)C.
What is the InChIKey of 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZSKPZWBSMPKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-9(2)20(10(3)4)8-7-17-15(21)14-12(16)13(18-19-14)11-5-6-11/h9-11H,5-8,16H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).