N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide

C16H23N5O — CID 72940539

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C16H23N5O/c1-4-7-21-11(2)14(9-17-21)16(22)20(3)10-13-8-15(19-18-13)12-5-6-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyVRGDDPHFUWPRLL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.47
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide (PubChem CID 72940539) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
PubChem CID72940539
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1C
InChIInChI=1S/C16H23N5O/c1-4-7-21-11(2)14(9-17-21)16(22)20(3)10-13-8-15(19-18-13)12-5-6-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyVRGDDPHFUWPRLL-UHFFFAOYSA-N
XLogP2.47
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132070185
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CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 235
CID 121279628
US10022354, Example 112
CID 132070192
US10022354, Example 162
CID 132070202
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50962184
3-cyclopropyl-N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 50977428
5-methyl-1-propyl-N-[2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 50977929
(5-Cyclopropyl-1-methylpyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53554201
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide (CID 72940539) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)c1C.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is VRGDDPHFUWPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-7-21-11(2)14(9-17-21)16(22)20(3)10-13-8-15(19-18-13)12-5-6-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72940539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).