[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid

C9H15N5O2 — CID 67456245

IUPAC[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
SMILESCn1ncc(N)c1N1CCC(NC(=O)O)C1
InChIInChI=1S/C9H15N5O2/c1-13-8(7(10)4-11-13)14-3-2-6(5-14)12-9(15)16/h4,6,12H,2-3,5,10H2,1H3,(H,15,16)
InChIKeyROMVNOGNHGQPLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.15
Rot. Bonds2

About [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid

[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 67456245) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID67456245
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
SMILESCn1ncc(N)c1N1CCC(NC(=O)O)C1
InChIInChI=1S/C9H15N5O2/c1-13-8(7(10)4-11-13)14-3-2-6(5-14)12-9(15)16/h4,6,12H,2-3,5,10H2,1H3,(H,15,16)
InChIKeyROMVNOGNHGQPLL-UHFFFAOYSA-N
XLogP-0.15
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 141313420
[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
CID 67437095
[6-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]carbamic acid
CID 89456974
1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
CID 67439094
tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
CID 58464892
tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate
CID 135742105
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135335154
[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 155168148
[1-(2-amino-4-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 118296358
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid (CID 67456245) is [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid is Cn1ncc(N)c1N1CCC(NC(=O)O)C1.
What is the InChIKey of [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is ROMVNOGNHGQPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13-8(7(10)4-11-13)14-3-2-6(5-14)12-9(15)16/h4,6,12H,2-3,5,10H2,1H3,(H,15,16).
What are the key properties of [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid?
[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 225.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 67456245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).