4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine

C10H18N4 — CID 114988228

IUPAC4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
SMILESCCCN(CC1CC1)c1cn[nH]c1N
InChIInChI=1S/C10H18N4/c1-2-5-14(7-8-3-4-8)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13)
InChIKeyVHQXKLZMSTZPQD-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine

4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine (PubChem CID 114988228) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
PubChem CID114988228
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
SMILESCCCN(CC1CC1)c1cn[nH]c1N
InChIInChI=1S/C10H18N4/c1-2-5-14(7-8-3-4-8)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13)
InChIKeyVHQXKLZMSTZPQD-UHFFFAOYSA-N
XLogP1.62
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
CID 82236212
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
3-bromo-8-N-(cyclopropylmethyl)-8-N-propylquinoline-5,8-diamine
CID 106949079
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
CID 80647313
1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
CID 62909830
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine (CID 114988228) is 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine is CCCN(CC1CC1)c1cn[nH]c1N.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine?
The InChIKey is VHQXKLZMSTZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-5-14(7-8-3-4-8)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine?
4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).